A0A087YNS0_POEFO Loading...

General transcription and DNA repair factor IIH subunit TFB5

In NER, TFIIH acts by opening DNA around the lesion to allow the excision of the damaged oligonucleotide and its replacement by a new DNA fragment. In transcription, TFIIH has an essential role in transcription initiation. When the pre-initiation complex (PIC) has been established, TFIIH is required for promoter opening and promoter escape.

AlphaFold DB (A0A3P9NAA2), UniProt , Accession A0A087YNS0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 71 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.8Very low63.7Low240 Ų240114.7 Ų114.7100%1.18260%0.604SS**  0115.20-73.3169.4174.900106.8
2V35.1Very low64.5Low133 Ų133108.4 Ų108.481%0.80658%0.576SS**  trans-100.8109.8-174.9-68.90000109.1V4V2-V4 HydrophobicContact CG2-CG2 4.48Å; V2-V4 PolarHBondContact O-N 3.26Å
3N49Very low65.6Low134 Ų134109.4 Ų109.472%0.71758%0.581SS**  trans-82.398.9172.4-103.658.8000108.1H5N3-H5 PolarHBondContact ND2-NE2 3.27Å; N3-H5 PolarHBondContact O-N 3.27Å
4V45.5Very low66.5Low125 Ų125106.4 Ų106.476%0.75857%0.571SS**  trans-86.490.1173.5-172.30000107.8V2V2-V4 HydrophobicContact CG2-CG2 4.48Å; V2-V4 PolarHBondContact O-N 3.26Å
5H63Low67.1Low101 Ų101104.5 Ų104.547%0.46858%0.576SS.*  trans-91.7124.2167.5-78-82.5000109.3N3 G7 L35N3-H5 PolarHBondContact ND2-NE2 3.27Å; N3-H5 PolarHBondContact O-N 3.27Å; H5-G7 PolarHBondContact O-N 2.83Å; H5-L35 HydrophobicContact CB-CD1 4.14Å; H5-L35 HydrophobicContact CB-CD2 4.36Å
6K66.9Low67.6Low192 Ų192102.6 Ų102.684%0.83556%0.563SS**  trans-73110.2169.3-67.2-176.2-179.9-177.50107.7
7G78.1Confident68.2Low25 Ų2599.5 Ų99.526%0.25854%0.542SS..  trans-145.8175.5-179.200000110.9H5 I45H5-G7 PolarHBondContact O-N 2.83Å; G7-I45 CarbonylContact C-O 3.5Å; G7-I45 VanDerWaalsContact CA-O 3.23Å; G7-I45 WeakPolarHBondContact CA-O 3.23Å
8V80.8Confident68.6Low57 Ų57101.7 Ų101.735%0.34555%0.549SS..EExtended strand (participates in β ladder)trans-106.3130173.8175.70000107.8V10 I45 A47 V50V8-V10 HydrophobicContact CG1-CG2 3.96Å; V8-I45 PolarHBondContact N-O 3.21Å; V8-I45 PolarHBondContact O-N 3.26Å; V8-A47 HydrophobicContact CG2-CB 3.62Å; V8-V50 HydrophobicContact CB-CG2 3.99Å; V8-V50 HydrophobicContact CG1-CG2 4.43Å; V8-V50 HydrophobicContact CG2-CG2 4.23Å
9L82.2Confident69Low85 Ų8599.8 Ų99.845%0.44554%0.535SS..EExtended strand (participates in β ladder)trans-77.8120.2165.4-175.280.7000107.4L38 H42 F44L9-L38 HydrophobicContact CD1-CD1 3.37Å; L9-H42 HydrophobicContact CD1-CB 4.48Å; L9-F44 HydrophobicContact CB-CD2 3.97Å; L9-F44 HydrophobicContact CB-CE2 3.96Å; L9-F44 HydrophobicContact CD1-CD2 3.73Å; L9-F44 HydrophobicContact CD1-CE2 4.35Å; L9-F44 HydrophobicContact CG-CD2 4.5Å
10V78.1Confident69.4Low29 Ų2995.2 Ų95.218%0.17651%0.51CS..EExtended strand (participates in β ladder)trans-107.7120.6174.9177.20000107.7V8 C12 V43 I45V8-V10 HydrophobicContact CG1-CG2 3.96Å; V10-C12 HydrophobicContact CG1-CB 4.38Å; V10-C12 WeakPolarHBondContact CG1-SG 3.49Å; V10-V43 HydrophobicContact CB-CG1 4.05Å; V10-V43 PolarHBondContact N-O 3.35Å; V10-V43 PolarHBondContact O-N 2.8Å; V10-I45 HydrophobicContact CG2-CD1 3.87Å; V10-I45 HydrophobicContact CG2-CG1 3.78Å
11E82.1Confident69.7Low141 Ų14194.3 Ų94.366%0.65951%0.505SS*.EExtended strand (participates in β ladder)trans-96.9118.7171.1-166.3176.6116.200108.2T41 H42E11-T41 CarbonylContact C-O 3.5Å; E11-T41 WeakPolarHBondContact CA-O 3.13Å; E11-H42 VanDerWaalsContact CD-NE2 3.27Å; E11-H42 WeakPolarHBondContact CG-NE2 3.29Å; E11-H42 IonicContact OE2-CD2 3.88Å; E11-H42 IonicContact OE2-CE1 3.51Å; E11-H42 IonicContact OE2-NE2 3.68Å; E11-H42 PolarHBondContact OE2-NE2 3.01Å
12C73.1Confident71.5Confident39 Ų3989.4 Ų89.426%0.26447%0.474SS..  trans-150.8158.7-175.8-75.20000111.5V10 M16 T41V10-C12 HydrophobicContact CG1-CB 4.38Å; V10-C12 WeakPolarHBondContact CG1-SG 3.49Å; C12-M16 HydrophobicContact CB-CB 3.71Å; C12-M16 HydrophobicContact CB-CG 3.93Å; C12-T41 PolarHBondContact N-O 2.87Å; C12-T41 CarbonylContact O-C 3.49Å; C12-T41 WeakPolarHBondContact O-CA 3.37Å
13D79.3Confident73.3Confident121 Ų12183.1 Ų83.165%0.64744%0.436SS*.  trans-63.8156174-80-88.6000114A15 M16 K17D13-A15 PolarHBondContact O-N 2.71Å; D13-A15 VanDerWaalsContact O-N 3.08Å; D13-M16 WeakPolarHBondContact O-CA 3.26Å; D13-M16 VanDerWaalsContact O-CB 3.29Å; D13-M16 WeakPolarHBondContact O-CB 3.36Å; D13-M16 PolarHBondContact O-N 2.85Å; D13-K17 PolarHBondContact O-N 3.04Å; D13-K17 VanDerWaalsContact O-N 3.17Å
14P77.7Confident74.4Confident68 Ų6877.6 Ų77.644%0.44241%0.406SS..Hα-helixtrans-58.3-26.8-17920.2-32.4000113.8M16 K17 Q18P14-M16 VanDerWaalsContact C-N 3.35Å; P14-K17 WeakPolarHBondContact O-CB 3.02Å; P14-K17 PolarHBondContact O-N 3.18Å; P14-Q18 PolarHBondContact O-N 3.49Å; P14-Q18 VanDerWaalsContact O-N 3.09Å
15A76.4Confident75.7Confident78 Ų7879.4 Ų79.465%0.64541%0.407SS*.Hα-helixtrans-63.4-40.6172.300000112.1D13 Q18 F19D13-A15 PolarHBondContact O-N 2.71Å; D13-A15 VanDerWaalsContact O-N 3.08Å; A15-Q18 WeakPolarHBondContact O-CB 3.4Å; A15-Q18 PolarHBondContact O-N 3.4Å; A15-F19 PolarHBondContact O-N 3.42Å; A15-F19 VanDerWaalsContact O-N 3.1Å
16M74Confident75.8Confident74 Ų7478 Ų7837%0.36541%0.405SS..Hα-helixtrans-71.1-35.3177.9-155.470.1162.600111.2C12 D13 P14 Q18 F19 L20 V57C12-M16 HydrophobicContact CB-CB 3.71Å; C12-M16 HydrophobicContact CB-CG 3.93Å; D13-M16 WeakPolarHBondContact O-CA 3.26Å; D13-M16 VanDerWaalsContact O-CB 3.29Å; D13-M16 WeakPolarHBondContact O-CB 3.36Å; D13-M16 PolarHBondContact O-N 2.85Å; P14-M16 VanDerWaalsContact C-N 3.35Å; M16-Q18 VanDerWaalsContact C-N 3.34Å; M16-Q18 PolarHBondContact O-N 3.1Å; M16-F19 CarbonylContact O-C 3.6Å; M16-F19 WeakPolarHBondContact O-CB 3.25Å; M16-F19 PolarHBondContact O-N 2.75Å; M16-F19 VanDerWaalsContact O-N 3.16Å; M16-L20 VanDerWaalsContact O-CG 3.28Å; M16-L20 WeakPolarHBondContact O-CG 3.48Å; M16-L20 PolarHBondContact O-N 2.94Å; M16-V57 HydrophobicContact CE-CG1 4.27Å
17K77.6Confident75.5Confident49 Ų4975 Ų7521%0.21340%0.396CS..Hα-helixtrans-58.2-45.8170.9175.6-177.8170.3-177.50111.4D13 P14 F19 L20 L21 D40D13-K17 PolarHBondContact O-N 3.04Å; D13-K17 VanDerWaalsContact O-N 3.17Å; P14-K17 WeakPolarHBondContact O-CB 3.02Å; P14-K17 PolarHBondContact O-N 3.18Å; K17-F19 VanDerWaalsContact C-N 3.26Å; K17-F19 PolarHBondContact O-N 3.31Å; K17-L20 WeakPolarHBondContact O-CB 3.44Å; K17-L20 PolarHBondContact O-N 3.45Å; K17-L21 HydrophobicContact CG-CD1 4.19Å; K17-L21 PolarHBondContact O-N 2.87Å; K17-D40 IonicContact NZ-OD1 2.71Å; K17-D40 PolarHBondContact NZ-OD1 3.19Å
18Q76.7Confident74.4Confident140 Ų14075.6 Ų75.665%0.65440%0.399SS*.Hα-helixtrans-61.3-38.5175.8-149.897-91.900111.4P14 A15 M16 L21 Y22P14-Q18 PolarHBondContact O-N 3.49Å; P14-Q18 VanDerWaalsContact O-N 3.09Å; A15-Q18 WeakPolarHBondContact O-CB 3.4Å; A15-Q18 PolarHBondContact O-N 3.4Å; M16-Q18 VanDerWaalsContact C-N 3.34Å; M16-Q18 PolarHBondContact O-N 3.1Å; Q18-L21 PolarHBondContact O-N 2.8Å; Q18-Y22 WeakPolarHBondContact O-CB 3.1Å; Q18-Y22 PolarHBondContact O-N 3.36Å
19F75.6Confident73.2Confident65 Ų6575.2 Ų75.229%0.28539%0.394SS..Hα-helixtrans-66.1-41.2175.9-160.8-100.9000112.4A15 M16 K17 Y22 L23 V57 L60A15-F19 PolarHBondContact O-N 3.42Å; A15-F19 VanDerWaalsContact O-N 3.1Å; M16-F19 CarbonylContact O-C 3.6Å; M16-F19 WeakPolarHBondContact O-CB 3.25Å; M16-F19 PolarHBondContact O-N 2.75Å; M16-F19 VanDerWaalsContact O-N 3.16Å; K17-F19 VanDerWaalsContact C-N 3.26Å; K17-F19 PolarHBondContact O-N 3.31Å; F19-Y22 WeakPolarHBondContact O-CB 3.31Å; F19-Y22 PolarHBondContact O-N 2.97Å; F19-L23 HydrophobicContact CD1-CD1 3.64Å; F19-L23 HydrophobicContact CD1-CG 4.24Å; F19-L23 HydrophobicContact CE1-CD1 3.57Å; F19-L23 HydrophobicContact CE1-CG 4.1Å; F19-L23 WeakPolarHBondContact O-CB 3.26Å; F19-L23 WeakPolarHBondContact O-CG 3.4Å; F19-L23 PolarHBondContact O-N 3.26Å; F19-V57 HydrophobicContact CD1-CG1 4.38Å; F19-V57 HydrophobicContact CD1-CG2 4.01Å; F19-V57 HydrophobicContact CE1-CB 4.12Å; F19-V57 HydrophobicContact CE1-CG1 3.88Å; F19-V57 HydrophobicContact CE1-CG2 3.67Å; F19-L60 HydrophobicContact CZ-CB 4.36Å
20L76.2Confident72.1Confident8 Ų873.6 Ų73.64%0.04240%0.399CS..Hα-helixtrans-63.2-42.7174.6-72.8161.8000111.6M16 K17 L23 D24 F33 I34 V43 L53M16-L20 VanDerWaalsContact O-CG 3.28Å; M16-L20 WeakPolarHBondContact O-CG 3.48Å; M16-L20 PolarHBondContact O-N 2.94Å; K17-L20 WeakPolarHBondContact O-CB 3.44Å; K17-L20 PolarHBondContact O-N 3.45Å; L20-L23 PolarHBondContact O-N 2.88Å; L20-D24 WeakPolarHBondContact O-CB 3.21Å; L20-D24 PolarHBondContact O-N 3Å; L20-F33 HydrophobicContact CD2-CE2 3.91Å; L20-F33 HydrophobicContact CD2-CZ 4.48Å; L20-F33 WeakPolarHBondContact O-CZ 3.38Å; L20-I34 HydrophobicContact CB-CD1 4.35Å; L20-V43 HydrophobicContact CD1-CG1 3.91Å; L20-L53 HydrophobicContact CD2-CD1 3.62Å; L20-L53 HydrophobicContact CD2-CD2 3.39Å; L20-L53 HydrophobicContact CD2-CG 4.14Å
21L76.8Confident71.5Confident77 Ų7780.2 Ų80.240%0.40343%0.425SS..Hα-helixtrans-62-43.1173.2-81158.9000111.6K17 Q18 L23 D24 E25 I34K17-L21 HydrophobicContact CG-CD1 4.19Å; K17-L21 PolarHBondContact O-N 2.87Å; Q18-L21 PolarHBondContact O-N 2.8Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L23 PolarHBondContact O-N 3.29Å; L21-D24 WeakPolarHBondContact O-CB 3.26Å; L21-D24 PolarHBondContact O-N 3.11Å; L21-E25 WeakPolarHBondContact O-CB 3.28Å; L21-E25 PolarHBondContact O-N 2.75Å; L21-I34 HydrophobicContact CD2-CD1 4.24Å; L21-I34 HydrophobicContact CG-CD1 4.3Å
22Y76.4Confident71.1Confident136 Ų13681.3 Ų81.353%0.53343%0.427SS..Hα-helixtrans-61.9-41.2175.6179.9-101000112Q18 F19 E25 T26Q18-Y22 WeakPolarHBondContact O-CB 3.1Å; Q18-Y22 PolarHBondContact O-N 3.36Å; F19-Y22 WeakPolarHBondContact O-CB 3.31Å; F19-Y22 PolarHBondContact O-N 2.97Å; Y22-E25 PolarHBondContact O-N 2.86Å; Y22-T26 HydrophobicContact CE1-CG2 4.14Å; Y22-T26 HydrophobicContact CE2-CG2 4.45Å; Y22-T26 PolarHBondContact O-N 2.82Å; Y22-T26 PolarHBondContact O-OG1 3.23Å
23L73.3Confident71.3Confident2 Ų279.5 Ų79.51%0.0142%0.415CS..Hα-helixtrans-67.3-36.2175-78.8170.4000113.3F19 L20 L21 E25 T26 M27 A28 F33 L53 V57 L60F19-L23 HydrophobicContact CD1-CD1 3.64Å; F19-L23 HydrophobicContact CD1-CG 4.24Å; F19-L23 HydrophobicContact CE1-CD1 3.57Å; F19-L23 HydrophobicContact CE1-CG 4.1Å; F19-L23 WeakPolarHBondContact O-CB 3.26Å; F19-L23 WeakPolarHBondContact O-CG 3.4Å; F19-L23 PolarHBondContact O-N 3.26Å; L20-L23 PolarHBondContact O-N 2.88Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L23 PolarHBondContact O-N 3.29Å; L23-E25 VanDerWaalsContact C-N 3.35Å; L23-T26 VanDerWaalsContact CA-OG1 3.3Å; L23-T26 WeakPolarHBondContact CA-OG1 3.44Å; L23-T26 PolarHBondContact O-OG1 3.4Å; L23-M27 PolarHBondContact O-N 3.14Å; L23-A28 HydrophobicContact CD2-CB 4Å; L23-A28 PolarHBondContact O-N 3.41Å; L23-F33 HydrophobicContact CB-CE1 4.29Å; L23-F33 HydrophobicContact CB-CZ 3.94Å; L23-L53 HydrophobicContact CD1-CD1 4.17Å; L23-L53 HydrophobicContact CD1-CD2 4.36Å; L23-L53 HydrophobicContact CD1-CG 4.03Å; L23-V57 HydrophobicContact CD1-CG2 3.58Å; L23-L60 HydrophobicContact CD2-CD1 3.64Å
24D72Confident71.4Confident17 Ų1775.7 Ų75.79%0.09139%0.394CS..Hα-helixtrans-63.8-42.7172.4-166.7-97.3000110.3L20 L21 M27 K32 F33 I34L20-D24 WeakPolarHBondContact O-CB 3.21Å; L20-D24 PolarHBondContact O-N 3Å; L21-D24 WeakPolarHBondContact O-CB 3.26Å; L21-D24 PolarHBondContact O-N 3.11Å; D24-M27 PolarHBondContact O-N 3.15Å; D24-K32 WeakPolarHBondContact OD1-CD 3.17Å; D24-K32 WeakPolarHBondContact OD1-CE 3.3Å; D24-K32 WeakPolarHBondContact OD1-CG 2.93Å; D24-K32 WeakPolarHBondContact OD2-CA 3.4Å; D24-K32 WeakPolarHBondContact OD2-CB 3.13Å; D24-F33 HydrophobicContact CB-CE1 4.12Å; D24-F33 HydrophobicContact CB-CZ 4.09Å; D24-F33 PolarHBondContact OD2-N 3.42Å; D24-F33 VanDerWaalsContact OD2-N 3.14Å; D24-I34 HydrophobicContact CB-CD1 4.22Å
25E72.7Confident71.5Confident163 Ų16375.1 Ų75.176%0.76239%0.387SS*.Hα-helixtrans-71.7-39.6-180-159.3-178.8122.900112.8L21 Y22 L23 M27L21-E25 WeakPolarHBondContact O-CB 3.28Å; L21-E25 PolarHBondContact O-N 2.75Å; Y22-E25 PolarHBondContact O-N 2.86Å; L23-E25 VanDerWaalsContact C-N 3.35Å; E25-M27 PolarHBondContact O-N 2.75Å; E25-M27 VanDerWaalsContact O-N 3.13Å
26T65.8Low71.5Confident72 Ų7278 Ų7844%0.44239%0.385SS..THydrogen-bonded Turntrans-68.8-5.5172.929.30000112.8Y22 L23 A28Y22-T26 HydrophobicContact CE1-CG2 4.14Å; Y22-T26 HydrophobicContact CE2-CG2 4.45Å; Y22-T26 PolarHBondContact O-N 2.82Å; Y22-T26 PolarHBondContact O-OG1 3.23Å; L23-T26 VanDerWaalsContact CA-OG1 3.3Å; L23-T26 WeakPolarHBondContact CA-OG1 3.44Å; L23-T26 PolarHBondContact O-OG1 3.4Å; T26-A28 PolarHBondContact O-N 2.85Å; T26-A28 VanDerWaalsContact O-N 3.12Å
27M60.3Low71.6Confident128 Ų12879.6 Ų79.663%0.63140%0.395SS*.THydrogen-bonded Turntrans48.939.9-177.4-94.7-174.6-102.100111.1L23 D24 E25 L29 G30L23-M27 PolarHBondContact O-N 3.14Å; D24-M27 PolarHBondContact O-N 3.15Å; E25-M27 PolarHBondContact O-N 2.75Å; E25-M27 VanDerWaalsContact O-N 3.13Å; M27-L29 PolarHBondContact O-N 3.14Å; M27-G30 PolarHBondContact O-N 2.85Å
28A56.1Low71.7Confident39 Ų3981.7 Ų81.732%0.32241%0.409SS..THydrogen-bonded Turntrans-55.8-19-177.500000112.9L23 T26L23-A28 HydrophobicContact CD2-CB 4Å; L23-A28 PolarHBondContact O-N 3.41Å; T26-A28 PolarHBondContact O-N 2.85Å; T26-A28 VanDerWaalsContact O-N 3.12Å
29L56Low71.8Confident48 Ų4880 Ų8025%0.25140%0.404SS..THydrogen-bonded Turntrans-117.30.5179.3-78.2148.4000114.1M27 K31 F33 V49 I52M27-L29 PolarHBondContact O-N 3.14Å; L29-K31 PolarHBondContact O-N 3.25Å; L29-K31 VanDerWaalsContact O-N 3.14Å; L29-F33 HydrophobicContact CD1-CD1 3.72Å; L29-F33 HydrophobicContact CD1-CE1 4.02Å; L29-F33 HydrophobicContact CD1-CG 4.44Å; L29-V49 HydrophobicContact CD1-CB 4.13Å; L29-I52 HydrophobicContact CD2-CB 3.74Å; L29-I52 HydrophobicContact CD2-CD1 3.59Å; L29-I52 HydrophobicContact CD2-CG1 4.27Å; L29-I52 HydrophobicContact CD2-CG2 3.44Å; L29-I52 VanDerWaalsContact CD2-CG2 3.44Å; L29-I52 HydrophobicContact CG-CG2 4.3Å
30G57.9Low71.7Confident52 Ų5281.9 Ų81.954%0.53642%0.417SS..SBendtrans68.82.4-177.600000115.7M27M27-G30 PolarHBondContact O-N 2.85Å
31K66.5Low71.8Confident168 Ų16884.3 Ų84.373%0.7343%0.432SS*.SBendtrans-147150.1174.5-74.7-172.5-178.6174.50111.4L29 F33L29-K31 PolarHBondContact O-N 3.25Å; L29-K31 VanDerWaalsContact O-N 3.14Å; K31-F33 PolarHBondContact O-N 2.78Å
32K72.1Confident72.1Confident163 Ų16382.8 Ų82.871%0.70942%0.423SS*.  trans-65126.9169.3-64.3-161.7169.1-167.10110.2D24D24-K32 WeakPolarHBondContact OD1-CD 3.17Å; D24-K32 WeakPolarHBondContact OD1-CE 3.3Å; D24-K32 WeakPolarHBondContact OD1-CG 2.93Å; D24-K32 WeakPolarHBondContact OD2-CA 3.4Å; D24-K32 WeakPolarHBondContact OD2-CB 3.13Å
33F77.5Confident72.4Confident2 Ų276.8 Ų76.81%0.00940%0.4CS..  trans-112.9-13.6-176.657.5-98.7000113.7L20 L23 D24 L29 K31 L35 I45 L46 V49 L53L20-F33 HydrophobicContact CD2-CE2 3.91Å; L20-F33 HydrophobicContact CD2-CZ 4.48Å; L20-F33 WeakPolarHBondContact O-CZ 3.38Å; L23-F33 HydrophobicContact CB-CE1 4.29Å; L23-F33 HydrophobicContact CB-CZ 3.94Å; D24-F33 HydrophobicContact CB-CE1 4.12Å; D24-F33 HydrophobicContact CB-CZ 4.09Å; D24-F33 PolarHBondContact OD2-N 3.42Å; D24-F33 VanDerWaalsContact OD2-N 3.14Å; L29-F33 HydrophobicContact CD1-CD1 3.72Å; L29-F33 HydrophobicContact CD1-CE1 4.02Å; L29-F33 HydrophobicContact CD1-CG 4.44Å; K31-F33 PolarHBondContact O-N 2.78Å; F33-L35 PolarHBondContact O-N 2.81Å; F33-I45 HydrophobicContact CD2-CB 4.39Å; F33-I45 HydrophobicContact CD2-CG2 4Å; F33-I45 HydrophobicContact CE2-CG2 4.49Å; F33-I45 VanDerWaalsContact O-CA 3.25Å; F33-I45 WeakPolarHBondContact O-CA 3.47Å; F33-I45 WeakPolarHBondContact O-CB 3.48Å; F33-L46 PolarHBondContact O-N 3.24Å; F33-V49 HydrophobicContact CB-CB 3.89Å; F33-V49 HydrophobicContact CB-CG1 3.82Å; F33-V49 HydrophobicContact CB-CG2 3.3Å; F33-V49 HydrophobicContact CD2-CG2 4.03Å; F33-V49 HydrophobicContact CG-CB 4.39Å; F33-V49 HydrophobicContact CG-CG2 3.79Å; F33-L53 HydrophobicContact CD1-CD1 4.35Å; F33-L53 HydrophobicContact CD2-CD1 3.75Å; F33-L53 HydrophobicContact CE1-CD1 3.79Å; F33-L53 HydrophobicContact CE2-CD1 3.12Å; F33-L53 HydrophobicContact CG-CD1 4.35Å; F33-L53 HydrophobicContact CZ-CD1 3.15Å
34I81Confident72.9Confident40 Ų4079.4 Ų79.421%0.20541%0.412CS..EExtended strand (participates in β ladder)trans-70.6109166.8-57.7177.7000107.7L20 L21 D24 V43 I45L20-I34 HydrophobicContact CB-CD1 4.35Å; L21-I34 HydrophobicContact CD2-CD1 4.24Å; L21-I34 HydrophobicContact CG-CD1 4.3Å; D24-I34 HydrophobicContact CB-CD1 4.22Å; I34-V43 HydrophobicContact CG2-CG2 3.73Å; I34-I45 HydrophobicContact CB-CG2 4.45Å; I34-I45 HydrophobicContact CG1-CG2 4.08Å
35L80.4Confident73.3Confident56 Ų5678.7 Ų78.729%0.29341%0.408SS..EExtended strand (participates in β ladder)trans-78.3-46.6175.5-70.2164.9000110.2H5 F33 F44 L46H5-L35 HydrophobicContact CB-CD1 4.14Å; H5-L35 HydrophobicContact CB-CD2 4.36Å; F33-L35 PolarHBondContact O-N 2.81Å; L35-F44 WeakPolarHBondContact CA-O 3.48Å; L35-F44 HydrophobicContact CB-CD1 4.22Å; L35-F44 WeakPolarHBondContact CB-O 3.22Å; L35-F44 HydrophobicContact CD1-CD1 3.76Å; L35-F44 HydrophobicContact CD1-CE1 4.18Å; L35-F44 PolarHBondContact N-O 3.17Å; L35-L46 HydrophobicContact CD1-CD2 3.99Å; L35-L46 HydrophobicContact CD1-CG 3.93Å; L35-L46 HydrophobicContact CD2-CD1 4.41Å; L35-L46 HydrophobicContact CD2-CD2 4.06Å; L35-L46 HydrophobicContact CD2-CG 3.94Å; L35-L46 HydrophobicContact CG-CD2 4.34Å; L35-L46 HydrophobicContact CG-CG 3.94Å
36K76.9Confident73.8Confident138 Ų13873.5 Ų73.560%0.639%0.385SS*.EExtended strand (participates in β ladder)trans-160.7130.5-176.9-160.7157.6-176.21740111.3F44K36-F44 HydrophobicContact CB-CB 4.19Å; K36-F44 PolarHBondContact N-O 3.45Å; K36-F44 VanDerWaalsContact N-O 3.15Å; K36-F44 WeakPolarHBondContact O-CA 3.41Å; K36-F44 VanDerWaalsContact O-CB 3.26Å; K36-F44 WeakPolarHBondContact O-CB 3.46Å; K36-F44 PolarHBondContact O-N 3.08Å
37D76.4Confident74.2Confident108 Ų10872.4 Ų72.458%0.57838%0.383SS*.EExtended strand (participates in β ladder)trans-79.2128.2161.757.4-58.4000109.1
38L79Confident74.9Confident94 Ų9474.2 Ų74.249%0.49239%0.39SS..  trans-96.9-48.4173.4-78.7148.1000109.1L9 H42 F44L9-L38 HydrophobicContact CD1-CD1 3.37Å; L38-H42 HydrophobicContact CB-CB 3.98Å; L38-H42 PolarHBondContact N-O 2.92Å; L38-F44 HydrophobicContact CD1-CB 4.47Å; L38-F44 HydrophobicContact CD1-CD2 4.37Å
39D79.5Confident75.6Confident105 Ų10573.3 Ų73.356%0.56138%0.381SS*.SBendtrans-152.1178.5-178.4-77.9-77.6000110.9T41 H42D39-T41 PolarHBondContact O-N 2.8Å; D39-H42 HydrophobicContact CB-CB 4.25Å; D39-H42 PolarHBondContact N-O 3.26Å; D39-H42 VanDerWaalsContact N-O 3.11Å; D39-H42 PolarHBondContact O-N 3.43Å; D39-H42 VanDerWaalsContact O-O 3.1Å
40D73.5Confident76.5Confident103 Ų10372.3 Ų72.355%0.55138%0.376SS*.SBendtrans-62-25.2175.6-87.9-60.1000113.9K17K17-D40 IonicContact NZ-OD1 2.71Å; K17-D40 PolarHBondContact NZ-OD1 3.19Å
41T78.6Confident77.3Confident59 Ų5976.6 Ų76.636%0.36238%0.383SS..SBendtrans-104.5-7.6177.350.50000114.4E11 C12 D39E11-T41 CarbonylContact C-O 3.5Å; E11-T41 WeakPolarHBondContact CA-O 3.13Å; C12-T41 PolarHBondContact N-O 2.87Å; C12-T41 CarbonylContact O-C 3.49Å; C12-T41 WeakPolarHBondContact O-CA 3.37Å; D39-T41 PolarHBondContact O-N 2.8Å
42H82.5Confident77.7Confident45 Ų4572.1 Ų72.121%0.20837%0.366CS..EExtended strand (participates in β ladder)trans-128.3116.8-171.3-63.386000110.8L9 E11 L38 D39L9-H42 HydrophobicContact CD1-CB 4.48Å; E11-H42 VanDerWaalsContact CD-NE2 3.27Å; E11-H42 WeakPolarHBondContact CG-NE2 3.29Å; E11-H42 IonicContact OE2-CD2 3.88Å; E11-H42 IonicContact OE2-CE1 3.51Å; E11-H42 IonicContact OE2-NE2 3.68Å; E11-H42 PolarHBondContact OE2-NE2 3.01Å; L38-H42 HydrophobicContact CB-CB 3.98Å; L38-H42 PolarHBondContact N-O 2.92Å; D39-H42 HydrophobicContact CB-CB 4.25Å; D39-H42 PolarHBondContact N-O 3.26Å; D39-H42 VanDerWaalsContact N-O 3.11Å; D39-H42 PolarHBondContact O-N 3.43Å; D39-H42 VanDerWaalsContact O-O 3.1Å
43V81.9Confident77.8Confident11 Ų1165 Ų657%0.06734%0.336CS..EExtended strand (participates in β ladder)trans-127.6139.217777.50000110.6V10 L20 I34 I45V10-V43 HydrophobicContact CB-CG1 4.05Å; V10-V43 PolarHBondContact N-O 3.35Å; V10-V43 PolarHBondContact O-N 2.8Å; L20-V43 HydrophobicContact CD1-CG1 3.91Å; I34-V43 HydrophobicContact CG2-CG2 3.73Å; V43-I45 HydrophobicContact CG1-CG2 4.18Å; V43-I45 HydrophobicContact CG2-CG2 4.28Å
44F83.5Confident77.5Confident56 Ų5671.5 Ų71.525%0.24637%0.366CS..EExtended strand (participates in β ladder)trans-101.4118.3177.5-146.6-101.1000108.9L9 L35 K36 L38L9-F44 HydrophobicContact CB-CD2 3.97Å; L9-F44 HydrophobicContact CB-CE2 3.96Å; L9-F44 HydrophobicContact CD1-CD2 3.73Å; L9-F44 HydrophobicContact CD1-CE2 4.35Å; L9-F44 HydrophobicContact CG-CD2 4.5Å; L35-F44 WeakPolarHBondContact CA-O 3.48Å; L35-F44 HydrophobicContact CB-CD1 4.22Å; L35-F44 WeakPolarHBondContact CB-O 3.22Å; L35-F44 HydrophobicContact CD1-CD1 3.76Å; L35-F44 HydrophobicContact CD1-CE1 4.18Å; L35-F44 PolarHBondContact N-O 3.17Å; K36-F44 HydrophobicContact CB-CB 4.19Å; K36-F44 PolarHBondContact N-O 3.45Å; K36-F44 VanDerWaalsContact N-O 3.15Å; K36-F44 WeakPolarHBondContact O-CA 3.41Å; K36-F44 VanDerWaalsContact O-CB 3.26Å; K36-F44 WeakPolarHBondContact O-CB 3.46Å; K36-F44 PolarHBondContact O-N 3.08Å; L38-F44 HydrophobicContact CD1-CB 4.47Å; L38-F44 HydrophobicContact CD1-CD2 4.37Å
45I81.9Confident77.3Confident3 Ų376 Ų762%0.01539%0.386CS..EExtended strand (participates in β ladder)trans-128.3161.3-178.259.7161.2000111.3G7 V8 V10 F33 I34 V43 A47 V49 V50G7-I45 CarbonylContact C-O 3.5Å; G7-I45 VanDerWaalsContact CA-O 3.23Å; G7-I45 WeakPolarHBondContact CA-O 3.23Å; V8-I45 PolarHBondContact N-O 3.21Å; V8-I45 PolarHBondContact O-N 3.26Å; V10-I45 HydrophobicContact CG2-CD1 3.87Å; V10-I45 HydrophobicContact CG2-CG1 3.78Å; F33-I45 HydrophobicContact CD2-CB 4.39Å; F33-I45 HydrophobicContact CD2-CG2 4Å; F33-I45 HydrophobicContact CE2-CG2 4.49Å; F33-I45 VanDerWaalsContact O-CA 3.25Å; F33-I45 WeakPolarHBondContact O-CA 3.47Å; F33-I45 WeakPolarHBondContact O-CB 3.48Å; I34-I45 HydrophobicContact CB-CG2 4.45Å; I34-I45 HydrophobicContact CG1-CG2 4.08Å; V43-I45 HydrophobicContact CG1-CG2 4.18Å; V43-I45 HydrophobicContact CG2-CG2 4.28Å; I45-A47 PolarHBondContact O-N 2.86Å; I45-V49 HydrophobicContact CD1-CG2 4.49Å; I45-V50 HydrophobicContact CD1-CB 4.39Å; I45-V50 HydrophobicContact CD1-CG2 3.36Å; I45-V50 HydrophobicContact CG1-CG2 3.76Å
46L81.5Confident76.8Confident53 Ų5378.6 Ų78.628%0.27739%0.392SS..  trans-67.9130.4176.9-74.9159.7000110.8F33 L35 E48 V49 V50F33-L46 PolarHBondContact O-N 3.24Å; L35-L46 HydrophobicContact CD1-CD2 3.99Å; L35-L46 HydrophobicContact CD1-CG 3.93Å; L35-L46 HydrophobicContact CD2-CD1 4.41Å; L35-L46 HydrophobicContact CD2-CD2 4.06Å; L35-L46 HydrophobicContact CD2-CG 3.94Å; L35-L46 HydrophobicContact CG-CD2 4.34Å; L35-L46 HydrophobicContact CG-CG 3.94Å; L46-E48 PolarHBondContact O-N 3.16Å; L46-V49 HydrophobicContact CB-CG1 4.27Å; L46-V49 HydrophobicContact CB-CG2 4.08Å; L46-V49 WeakPolarHBondContact O-CG2 3.38Å; L46-V49 PolarHBondContact O-N 3.1Å; L46-V49 VanDerWaalsContact O-N 3.1Å; L46-V50 PolarHBondContact O-N 2.91Å
47A74.9Confident76.5Confident49 Ų4972.6 Ų72.641%0.40537%0.367SS..Hα-helixtrans-58.1-35.6-178.800000113.1V8 I45 V49 V50V8-A47 HydrophobicContact CG2-CB 3.62Å; I45-A47 PolarHBondContact O-N 2.86Å; A47-V49 VanDerWaalsContact C-N 3.25Å; A47-V49 PolarHBondContact O-N 2.83Å; A47-V50 WeakPolarHBondContact O-CB 3.49Å; A47-V50 PolarHBondContact O-N 3.4Å
48E74.5Confident76.1Confident166 Ų16669.2 Ų69.278%0.77636%0.357SS*.Hα-helixtrans-64.3-30.1-179.9-71.6179.188.500112.9L46L46-E48 PolarHBondContact O-N 3.16Å
49V72.5Confident75.8Confident20 Ų2069.1 Ų69.112%0.12136%0.355CS..Hα-helixtrans-88.1-18179.9-54.10000112.5L29 F33 I45 L46 A47 Q51 I52 L53L29-V49 HydrophobicContact CD1-CB 4.13Å; F33-V49 HydrophobicContact CB-CB 3.89Å; F33-V49 HydrophobicContact CB-CG1 3.82Å; F33-V49 HydrophobicContact CB-CG2 3.3Å; F33-V49 HydrophobicContact CD2-CG2 4.03Å; F33-V49 HydrophobicContact CG-CB 4.39Å; F33-V49 HydrophobicContact CG-CG2 3.79Å; I45-V49 HydrophobicContact CD1-CG2 4.49Å; L46-V49 HydrophobicContact CB-CG1 4.27Å; L46-V49 HydrophobicContact CB-CG2 4.08Å; L46-V49 WeakPolarHBondContact O-CG2 3.38Å; L46-V49 PolarHBondContact O-N 3.1Å; L46-V49 VanDerWaalsContact O-N 3.1Å; A47-V49 VanDerWaalsContact C-N 3.25Å; A47-V49 PolarHBondContact O-N 2.83Å; V49-Q51 VanDerWaalsContact C-N 3.28Å; V49-Q51 PolarHBondContact O-N 3.27Å; V49-I52 PolarHBondContact O-N 2.87Å; V49-L53 WeakPolarHBondContact O-CB 3.38Å; V49-L53 PolarHBondContact O-N 2.87Å
50V74.7Confident75.1Confident27 Ų2767.1 Ų67.116%0.16434%0.344CS..Hα-helixtrans-59.6-43.3-175.6168.80000110.3V8 I45 L46 A47 L53 Q54V8-V50 HydrophobicContact CB-CG2 3.99Å; V8-V50 HydrophobicContact CG1-CG2 4.43Å; V8-V50 HydrophobicContact CG2-CG2 4.23Å; I45-V50 HydrophobicContact CD1-CB 4.39Å; I45-V50 HydrophobicContact CD1-CG2 3.36Å; I45-V50 HydrophobicContact CG1-CG2 3.76Å; L46-V50 PolarHBondContact O-N 2.91Å; A47-V50 WeakPolarHBondContact O-CB 3.49Å; A47-V50 PolarHBondContact O-N 3.4Å; V50-L53 PolarHBondContact O-N 3.5Å; V50-Q54 PolarHBondContact O-N 3.22Å
51Q74.6Confident74.7Confident142 Ų14268.2 Ų68.266%0.66435%0.347SS*.Hα-helixtrans-62.5-51.4177.5-82.1-175.6-16.600111.4V49 L53 Q54 E55V49-Q51 VanDerWaalsContact C-N 3.28Å; V49-Q51 PolarHBondContact O-N 3.27Å; Q51-L53 PolarHBondContact O-N 3.43Å; Q51-Q54 PolarHBondContact O-N 2.89Å; Q51-E55 PolarHBondContact O-N 3.44Å
52I74.3Confident74.1Confident75 Ų7571.4 Ų71.439%0.38536%0.361SS..Hα-helixtrans-64.5-34.4-179.1-50.6165.8000110.4L29 V49 E55 R56L29-I52 HydrophobicContact CD2-CB 3.74Å; L29-I52 HydrophobicContact CD2-CD1 3.59Å; L29-I52 HydrophobicContact CD2-CG1 4.27Å; L29-I52 HydrophobicContact CD2-CG2 3.44Å; L29-I52 VanDerWaalsContact CD2-CG2 3.44Å; L29-I52 HydrophobicContact CG-CG2 4.3Å; V49-I52 PolarHBondContact O-N 2.87Å; I52-E55 PolarHBondContact O-N 3.12Å; I52-R56 HydrophobicContact CG2-CG 4.27Å; I52-R56 VanDerWaalsContact O-CB 3.26Å; I52-R56 WeakPolarHBondContact O-CB 3.46Å; I52-R56 VanDerWaalsContact O-CG 3.31Å; I52-R56 WeakPolarHBondContact O-CG 3.4Å; I52-R56 PolarHBondContact O-N 3.47Å
53L74.4Confident73.1Confident14 Ų1475.7 Ų75.77%0.07338%0.382CS..Hα-helixtrans-70.2-41.9177.4-165.3136.4000111.1L20 L23 F33 V49 V50 Q51 E55 R56 V57L20-L53 HydrophobicContact CD2-CD1 3.62Å; L20-L53 HydrophobicContact CD2-CD2 3.39Å; L20-L53 HydrophobicContact CD2-CG 4.14Å; L23-L53 HydrophobicContact CD1-CD1 4.17Å; L23-L53 HydrophobicContact CD1-CD2 4.36Å; L23-L53 HydrophobicContact CD1-CG 4.03Å; F33-L53 HydrophobicContact CD1-CD1 4.35Å; F33-L53 HydrophobicContact CD2-CD1 3.75Å; F33-L53 HydrophobicContact CE1-CD1 3.79Å; F33-L53 HydrophobicContact CE2-CD1 3.12Å; F33-L53 HydrophobicContact CG-CD1 4.35Å; F33-L53 HydrophobicContact CZ-CD1 3.15Å; V49-L53 WeakPolarHBondContact O-CB 3.38Å; V49-L53 PolarHBondContact O-N 2.87Å; V50-L53 PolarHBondContact O-N 3.5Å; Q51-L53 PolarHBondContact O-N 3.43Å; L53-E55 VanDerWaalsContact C-N 3.35Å; L53-R56 PolarHBondContact O-N 3.32Å; L53-V57 HydrophobicContact CD2-CG2 3.59Å; L53-V57 HydrophobicContact CG-CG2 4.07Å; L53-V57 WeakPolarHBondContact O-CB 3.48Å; L53-V57 WeakPolarHBondContact O-CG2 3.23Å; L53-V57 PolarHBondContact O-N 3.33Å
54Q71.5Confident71.6Confident138 Ų13881.2 Ų81.265%0.64541%0.411SS*.Hα-helixtrans-60.4-43.8171.1-85.4-1786.500112V50 Q51 G58V50-Q54 PolarHBondContact O-N 3.22Å; Q51-Q54 PolarHBondContact O-N 2.89Å; Q54-G58 PolarHBondContact O-N 2.64Å
55E75.4Confident69.8Low135 Ų13582.5 Ų82.563%0.63143%0.427SS*.Hα-helixtrans-62.6-48.1176-74.2-173.292.200111.3Q51 I52 L53 G58 E59Q51-E55 PolarHBondContact O-N 3.44Å; I52-E55 PolarHBondContact O-N 3.12Å; L53-E55 VanDerWaalsContact C-N 3.35Å; E55-G58 PolarHBondContact O-N 2.75Å; E55-E59 WeakPolarHBondContact O-CG 3.39Å; E55-E59 PolarHBondContact O-N 3.37Å
56R71.6Confident68Low109 Ų10989.9 Ų89.941%0.41146%0.459SS..Hα-helixtrans-66.6-41.1178.7-78.2-58.5-157.1-170.36.2113.4I52 L53 G58 E59 L60I52-R56 HydrophobicContact CG2-CG 4.27Å; I52-R56 VanDerWaalsContact O-CB 3.26Å; I52-R56 WeakPolarHBondContact O-CB 3.46Å; I52-R56 VanDerWaalsContact O-CG 3.31Å; I52-R56 WeakPolarHBondContact O-CG 3.4Å; I52-R56 PolarHBondContact O-N 3.47Å; L53-R56 PolarHBondContact O-N 3.32Å; R56-G58 VanDerWaalsContact C-N 3.29Å; R56-E59 IonicContact CZ-OE2 2.92Å; R56-E59 IonicContact NH1-OE2 2.8Å; R56-E59 PolarHBondContact NH1-OE2 3.4Å; R56-E59 PolarHBondContact O-N 3.36Å; R56-L60 VanDerWaalsContact O-CB 3.22Å; R56-L60 WeakPolarHBondContact O-CB 3.49Å; R56-L60 WeakPolarHBondContact O-CG 3.44Å; R56-L60 PolarHBondContact O-N 3.13Å
57V70.7Confident66.2Low13 Ų1391.9 Ų91.98%0.07948%0.475CS..Hα-helixtrans-61.6-43.2173.7172.40000109M16 F19 L23 L53 L60 M61M16-V57 HydrophobicContact CE-CG1 4.27Å; F19-V57 HydrophobicContact CD1-CG1 4.38Å; F19-V57 HydrophobicContact CD1-CG2 4.01Å; F19-V57 HydrophobicContact CE1-CB 4.12Å; F19-V57 HydrophobicContact CE1-CG1 3.88Å; F19-V57 HydrophobicContact CE1-CG2 3.67Å; L23-V57 HydrophobicContact CD1-CG2 3.58Å; L53-V57 HydrophobicContact CD2-CG2 3.59Å; L53-V57 HydrophobicContact CG-CG2 4.07Å; L53-V57 WeakPolarHBondContact O-CB 3.48Å; L53-V57 WeakPolarHBondContact O-CG2 3.23Å; L53-V57 PolarHBondContact O-N 3.33Å; V57-L60 PolarHBondContact O-N 2.83Å; V57-M61 VanDerWaalsContact O-CB 3.3Å; V57-M61 WeakPolarHBondContact O-CB 3.3Å; V57-M61 PolarHBondContact O-N 3.26Å
58G67.6Low64.9Low36 Ų3697.9 Ų97.937%0.37150%0.499SS..Hα-helixtrans-61.6-50.1175.300000112.5Q54 E55 R56 L60 M61 D62Q54-G58 PolarHBondContact O-N 2.64Å; E55-G58 PolarHBondContact O-N 2.75Å; R56-G58 VanDerWaalsContact C-N 3.29Å; G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 2.85Å; G58-M61 PolarHBondContact O-N 2.79Å; G58-D62 WeakPolarHBondContact O-CB 3.41Å; G58-D62 PolarHBondContact O-N 3.26Å
59E71.3Confident63.4Low93 Ų9395.7 Ų95.744%0.43550%0.497SS..Hα-helixtrans-60.9-40.1175.7-73.7-162.7113.800112.1E55 R56 D62 Q63E55-E59 WeakPolarHBondContact O-CG 3.39Å; E55-E59 PolarHBondContact O-N 3.37Å; R56-E59 IonicContact CZ-OE2 2.92Å; R56-E59 IonicContact NH1-OE2 2.8Å; R56-E59 PolarHBondContact NH1-OE2 3.4Å; R56-E59 PolarHBondContact O-N 3.36Å; E59-D62 PolarHBondContact O-N 2.8Å; E59-Q63 VanDerWaalsContact O-CB 3.3Å; E59-Q63 WeakPolarHBondContact O-CB 3.3Å; E59-Q63 VanDerWaalsContact O-CG 3.3Å; E59-Q63 WeakPolarHBondContact O-CG 3.37Å; E59-Q63 PolarHBondContact O-N 3.4Å
60L66.4Low61.9Low63 Ų63103.6 Ų103.633%0.3353%0.532SS..Hα-helixtrans-72-35.1176.9-82.3161.3000112.1F19 L23 R56 V57 G58 D62 N64F19-L60 HydrophobicContact CZ-CB 4.36Å; L23-L60 HydrophobicContact CD2-CD1 3.64Å; R56-L60 VanDerWaalsContact O-CB 3.22Å; R56-L60 WeakPolarHBondContact O-CB 3.49Å; R56-L60 WeakPolarHBondContact O-CG 3.44Å; R56-L60 PolarHBondContact O-N 3.13Å; V57-L60 PolarHBondContact O-N 2.83Å; G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 2.85Å; L60-D62 VanDerWaalsContact C-N 3.31Å; L60-N64 WeakPolarHBondContact O-CA 3.3Å; L60-N64 WeakPolarHBondContact O-CB 2.98Å; L60-N64 PolarHBondContact O-N 3.09Å
61M63.8Low60.1Low126 Ų126114.9 Ų114.962%0.62158%0.579SS**Hα-helixtrans-67.3-34.1171.7-94.9-171.9156.300111.7V57 G58 S65V57-M61 VanDerWaalsContact O-CB 3.3Å; V57-M61 WeakPolarHBondContact O-CB 3.3Å; V57-M61 PolarHBondContact O-N 3.26Å; G58-M61 PolarHBondContact O-N 2.79Å; M61-S65 VanDerWaalsContact O-CB 3.23Å; M61-S65 WeakPolarHBondContact O-CB 3.48Å; M61-S65 PolarHBondContact O-N 2.91Å; M61-S65 PolarHBondContact O-OG 2.73Å
62D66.8Low59.4Low125 Ų125113.6 Ų113.667%0.66858%0.575SS**Hα-helixtrans-74.7-45176.4-165.9-100.5000111.2G58 E59 L60 S65G58-D62 WeakPolarHBondContact O-CB 3.41Å; G58-D62 PolarHBondContact O-N 3.26Å; E59-D62 PolarHBondContact O-N 2.8Å; L60-D62 VanDerWaalsContact C-N 3.31Å; D62-S65 WeakPolarHBondContact O-CB 3.42Å; D62-S65 PolarHBondContact O-N 3.29Å
63Q62Low58.6Low135 Ų135115.6 Ų115.663%0.63159%0.585SS**Hα-helixtrans-69.1-35.2175.5-74.1-173.620.500113.3E59 S65E59-Q63 VanDerWaalsContact O-CB 3.3Å; E59-Q63 WeakPolarHBondContact O-CB 3.3Å; E59-Q63 VanDerWaalsContact O-CG 3.3Å; E59-Q63 WeakPolarHBondContact O-CG 3.37Å; E59-Q63 PolarHBondContact O-N 3.4Å; Q63-S65 VanDerWaalsContact C-N 3.34Å
64N50Low57.7Low127 Ų127121.2 Ų121.268%0.67961%0.614SS**SBendtrans-90.3-1.4175.5-158.428.4000112.5L60 F66L60-N64 WeakPolarHBondContact O-CA 3.3Å; L60-N64 WeakPolarHBondContact O-CB 2.98Å; L60-N64 PolarHBondContact O-N 3.09Å; N64-F66 PolarHBondContact O-N 3.35Å
65S46Very low56.9Low83 Ų83120.2 Ų120.258%0.5861%0.612SS**  trans-71.258.6153.4-73.90000108.7M61 D62 Q63 P67M61-S65 VanDerWaalsContact O-CB 3.23Å; M61-S65 WeakPolarHBondContact O-CB 3.48Å; M61-S65 PolarHBondContact O-N 2.91Å; M61-S65 PolarHBondContact O-OG 2.73Å; D62-S65 WeakPolarHBondContact O-CB 3.42Å; D62-S65 PolarHBondContact O-N 3.29Å; Q63-S65 VanDerWaalsContact C-N 3.34Å; S65-P67 WeakPolarHBondContact O-CD 3.47Å
66F42.8Very low55.7Low159 Ų159119.3 Ų119.370%0.69761%0.611SS**  trans-52.8124142.1-90.8-90.1000105.6N64 I68N64-F66 PolarHBondContact O-N 3.35Å; F66-I68 VanDerWaalsContact C-N 3.3Å; F66-I68 PolarHBondContact O-N 2.83Å
67P45Very low54.7Low95 Ų95120 Ų12062%0.61762%0.624SS**  trans-60.798.9178.923.5-31.2000107.9S65 T69S65-P67 WeakPolarHBondContact O-CD 3.47Å; P67-T69 HydrophobicContact CB-CG2 3.56Å; P67-T69 PolarHBondContact O-N 3.29Å
68I46.8Very low53.5Low175 Ų175127.6 Ų127.690%0.89766%0.663SS**  trans-67.513.1159.540.9167000111.3F66 Q70F66-I68 VanDerWaalsContact C-N 3.3Å; F66-I68 PolarHBondContact O-N 2.83Å; I68-Q70 PolarHBondContact O-N 3.01Å
69T44.1Very low52.5Low119 Ų119134.7 Ų134.773%0.7369%0.685SS**  trans-84.756.3157.5-1770000111.2P67P67-T69 HydrophobicContact CB-CG2 3.56Å; P67-T69 PolarHBondContact O-N 3.29Å
70Q39.7Very low50.9Low186 Ų186138.2 Ų138.287%0.86971%0.706SS**  trans-92.9103.5153.8-160178.5-91.100107.7I68I68-Q70 PolarHBondContact O-N 3.01Å
71K37.4Very low49.5Very low265 Ų265145 Ų145100%1.15274%0.74SS**  trans-63.80169.3-170.1-175.4-178.1-176.40111.1

Retrieved 71 of 71 residues in 99.9 ms (Link to these results)

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